# generated using pymatgen data_Sc2Si4W3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58031600 _cell_length_b 6.78902600 _cell_length_c 12.66228200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Si4W3 _chemical_formula_sum 'Sc8 Si16 W12' _cell_volume 565.67398090 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.49310900 0.66953000 0.59241900 1.0 Sc Sc1 1 0.99310900 0.83047000 0.90758100 1.0 Sc Sc2 1 0.50689100 0.33047000 0.09241900 1.0 Sc Sc3 1 0.00689100 0.16953000 0.40758100 1.0 Sc Sc4 1 0.50689100 0.33047000 0.40758100 1.0 Sc Sc5 1 0.00689100 0.16953000 0.09241900 1.0 Sc Sc6 1 0.49310900 0.66953000 0.90758100 1.0 Sc Sc7 1 0.99310900 0.83047000 0.59241900 1.0 Si Si8 1 0.66817000 0.96271400 0.45562500 1.0 Si Si9 1 0.16817000 0.53728600 0.04437500 1.0 Si Si10 1 0.33183000 0.03728600 0.95562500 1.0 Si Si11 1 0.83183000 0.46271400 0.54437500 1.0 Si Si12 1 0.33183000 0.03728600 0.54437500 1.0 Si Si13 1 0.83183000 0.46271400 0.95562500 1.0 Si Si14 1 0.66817000 0.96271400 0.04437500 1.0 Si Si15 1 0.16817000 0.53728600 0.45562500 1.0 Si Si16 1 0.46372800 0.38153500 0.75000000 1.0 Si Si17 1 0.96372800 0.11846500 0.75000000 1.0 Si Si18 1 0.53627200 0.61846500 0.25000000 1.0 Si Si19 1 0.03627200 0.88153500 0.25000000 1.0 Si Si20 1 0.69733700 0.85705400 0.75000000 1.0 Si Si21 1 0.19733700 0.64294600 0.75000000 1.0 Si Si22 1 0.30266300 0.14294600 0.25000000 1.0 Si Si23 1 0.80266300 0.35705400 0.25000000 1.0 W W24 1 0.66723900 0.16442900 0.62457400 1.0 W W25 1 0.16723900 0.33557100 0.87542600 1.0 W W26 1 0.33276100 0.83557100 0.12457400 1.0 W W27 1 0.83276100 0.66442900 0.37542600 1.0 W W28 1 0.33276100 0.83557100 0.37542600 1.0 W W29 1 0.83276100 0.66442900 0.12457400 1.0 W W30 1 0.66723900 0.16442900 0.87542600 1.0 W W31 1 0.16723900 0.33557100 0.62457400 1.0 W W32 1 0.83288300 0.50354100 0.75000000 1.0 W W33 1 0.33288300 0.99645900 0.75000000 1.0 W W34 1 0.16711700 0.49645900 0.25000000 1.0 W W35 1 0.66711700 0.00354100 0.25000000 1.0